原子与分子物理学报Issue(6)：977-981,5.DOI:10.3969/j.issn.1000-0364.2014.06.022
新型Heusler合金RuMn2Sn的态密度、磁性对压力、四方变形的响应
The responses of density of states and magnetism to pressure and tetragonal distortion in the new Heusler alloy RuMn2 Sn
摘要
Abstract
The responses of density of states to pressure and the responses of density of states and magnetism to tetragonal distortion in the new Heusler alloy RuMn2 Sn are calculated by the first-principles method based on the density functional theory.The calculated results show that:1)With increasing the impressed pressure, the densi-ty of states moves to lower energy, the amplitude for the density of states increases slightly, and the hybridization degree between atoms is enhanced, the reason is that the distance between the Ru、Mn and Sn atoms reduced with increasing the impressed pressure;2 ) In the process of phase transformation from the austenite to the mar-tensite, the density of states will also be moved to lower energy due to the reduction of the distance between at-oms in the alloy and the system energy decreases.Meanwhile in the process of phase transformation from the aus-tenite to the martensite, the energy band becomes broader and the bonding interaction becomes stronger, which lead to the increasing of the stabilization of martensitic;3 ) In the above process of phase transformation, the change of total magnetic moment for RuMn2 Sn is mainly decided by the change of magnetic moment of Ru atom.关键词
态密度/压力/四方变形/磁性/响应Key words
Density of states/Pressure/Tetragonal distortion/Magnetism/Response分类
数理科学引用本文复制引用
杨丽娟,崔磊,张兆慧,毛仕春..新型Heusler合金RuMn2Sn的态密度、磁性对压力、四方变形的响应[J].原子与分子物理学报,2014,(6):977-981,5.基金项目
江苏省自然科学基金（BK2012460）；江苏省高校自然科学基金（12KJB140011）；宿迁市指导性科技计划项目（Z2010016）；宿迁市科技创新专项资金项目 （）
